(3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine

C9H16FNO — CID 139353778

IUPAC(3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine
SMILESC[C@H]1CCN(C2COC2)C[C@H]1F
InChIInChI=1S/C9H16FNO/c1-7-2-3-11(4-9(7)10)8-5-12-6-8/h7-9H,2-6H2,1H3/t7-,9+/m0/s1
InChIKeyPTPYZHPHUNTWCH-IONNQARKSA-N
MW173.23 g/mol
LogP1.07
Rot. Bonds1

About (3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine

(3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine (PubChem CID 139353778) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine
PubChem CID139353778
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine
SMILESC[C@H]1CCN(C2COC2)C[C@H]1F
InChIInChI=1S/C9H16FNO/c1-7-2-3-11(4-9(7)10)8-5-12-6-8/h7-9H,2-6H2,1H3/t7-,9+/m0/s1
InChIKeyPTPYZHPHUNTWCH-IONNQARKSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine?
The IUPAC name of (3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine (CID 139353778) is (3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for (3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine?
The canonical SMILES for (3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine is C[C@H]1CCN(C2COC2)C[C@H]1F.
What is the InChIKey of (3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine?
The InChIKey is PTPYZHPHUNTWCH-IONNQARKSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7-2-3-11(4-9(7)10)8-5-12-6-8/h7-9H,2-6H2,1H3/t7-,9+/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine?
(3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine has a molecular weight of 173.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 139353778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).